On the public citation graph
The COSMO and COSMO‐RS solvation models
0 signed · 433 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1522-2640(200007)72:7<727::aid-cite727>3.0.co;2-sopenalex-snapshot
A priori-Berechnung von Phasengleichgewichten für die thermische Verfahrenstechnik mit COSMO-RS
inferredcites →https://doi.org/10.1002/1522-2640(200202)74:1/2<85::aid-cite85>3.0.co;2-gopenalex-snapshot
Was darf der Verfahrensingenieur von COSMO-RS erwarten?
inferredcites →https://doi.org/10.1002/9780470882221.ch24openalex-snapshot
Drug Solubility and Reaction Thermodynamics
inferredcites →https://doi.org/10.1002/9783527621286.ch11openalex-snapshot
Challenge of Drug Solubility Prediction
inferredcites →https://doi.org/10.1002/aic.690210115openalex-snapshot
Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems
inferredcites →https://doi.org/10.1002/jcc.10189openalex-snapshot
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
inferredcites →https://doi.org/10.1002/jcc.21103openalex-snapshot
Prediction of acidity in acetonitrile solution with COSMO‐RS
inferredcites →https://doi.org/10.1002/mren.201600037openalex-snapshot
Dependence of Propagation Rate Coefficients in Radical Polymerization on Solution Properties
inferredcites →https://doi.org/10.1002/qua.24811openalex-snapshot
Application of quantum calculations in the chemical industry—An overview
inferredcites →https://doi.org/10.1007/bf02697140openalex-snapshot
Room temperature ionic liquids as replacements for conventional solvents – A review
inferredcites →https://doi.org/10.1007/s10822-010-9354-4openalex-snapshot
Blind prediction test of free energies of hydration with COSMO-RS
inferredcites →https://doi.org/10.1007/s10822-016-9927-yopenalex-snapshot
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set
inferredcites →https://doi.org/10.1007/s10822-016-9954-8openalex-snapshot
Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge
inferredcites →https://doi.org/10.1016/0301-0104(81)85090-2openalex-snapshot
Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
inferredcites →https://doi.org/10.1016/s0378-3812(00)00357-5openalex-snapshot
COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids
inferredcites →https://doi.org/10.1021/acs.iecr.5b03083openalex-snapshot
Predicting Flash Points of Pure Compounds and Mixtures with COSMO-RS
inferredcites →https://doi.org/10.1021/acs.jcim.5b00106openalex-snapshot
Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation
inferredcites →https://doi.org/10.1021/acs.jcim.6b00081openalex-snapshot
Correction to Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation
inferredcites →https://doi.org/10.1021/acs.jctc.5b00601openalex-snapshot
A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach
inferredcites →https://doi.org/10.1021/ar800187popenalex-snapshot
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”
inferredcites →https://doi.org/10.1021/cr9904009openalex-snapshot
Quantum Mechanical Continuum Solvation Models
inferredcites →https://doi.org/10.1021/ct500266zopenalex-snapshot
First-Principles Prediction of Liquid/Liquid Interfacial Tension
inferredcites →https://doi.org/10.1021/ct5008857openalex-snapshot
Validation of the Direct-COSMO-RS Solvent Model for Diels–Alder Reactions in Aqueous Solution
inferredcites →https://doi.org/10.1021/es062501bopenalex-snapshot
Quantum Chemical Modeling of Humic Acid/Air Equilibrium Partitioning of Organic Vapors
inferredcites →https://doi.org/10.1021/es8025165openalex-snapshot
Ambient Gas/Particle Partitioning. 3. Estimating Partition Coefficients of Apolar, Polar, and Ionizable Organic Compounds by Their Molecular Structure
inferredcites →https://doi.org/10.1021/ie001047wopenalex-snapshot
A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model
inferredcites →https://doi.org/10.1021/ie049139zopenalex-snapshot
Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods
inferredcites →https://doi.org/10.1021/ie051116copenalex-snapshot
Prediction of Binary VLE for Imidazolium Based Ionic Liquid Systems Using COSMO-RS
inferredcites →https://doi.org/10.1021/ie501669zopenalex-snapshot
Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS
inferredcites →https://doi.org/10.1021/j100007a062openalex-snapshot
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
inferredcites →https://doi.org/10.1021/je025626eopenalex-snapshot
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS
inferredcites →https://doi.org/10.1021/jo00287a012openalex-snapshot
Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory
inferredcites →https://doi.org/10.1021/jp034688oopenalex-snapshot
First Principles Calculations of Aqueous pKaValues for Organic and Inorganic Acids Using COSMO−RS Reveal an Inconsistency in the Slope of the pKaScale
inferredcites →https://doi.org/10.1021/jp056016zopenalex-snapshot
Calculation of Solvent Shifts on Electronic g -Tensors with the Conductor-Like Screening Model (COSMO) and Its Self-Consistent Generalization to Real Solvents (Direct COSMO-RS)
inferredcites →https://doi.org/10.1021/jp509348aopenalex-snapshot
Prediction of Phospholipid–Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmic
inferredcites →https://doi.org/10.1021/jp511158yopenalex-snapshot
Calculation of Solvation Free Energies with DCOSMO-RS
inferredcites →https://doi.org/10.1021/jp801736kopenalex-snapshot
COSMOmic: A Mechanistic Approach to the Calculation of Membrane−Water Partition Coefficients and Internal Distributions within Membranes and Micelles
inferredcites →https://doi.org/10.1021/jp9716997openalex-snapshot
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
inferredcites →https://doi.org/10.1021/jp980017sopenalex-snapshot
Refinement and Parametrization of COSMO-RS
inferredcites →https://doi.org/10.1039/c1cp22640aopenalex-snapshot
Polarization charge densities provide a predictive quantification of hydrogen bond energies
inferredcites →https://doi.org/10.1039/c3cp44611eopenalex-snapshot
Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities
inferredcites →https://doi.org/10.1039/c6cc03664copenalex-snapshot
Halogen bonded supramolecular capsules: a challenging test case for quantum chemical methods
inferredcites →https://doi.org/10.1039/p29930000799openalex-snapshot
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
inferredcites →https://doi.org/10.1063/1.1480445openalex-snapshot
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
inferredcites →https://doi.org/10.1063/1.472829openalex-snapshot
Treatment of the outlying charge in continuum solvation models
inferredcites →https://doi.org/10.1063/1.474659openalex-snapshot
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
inferredcites →https://doi.org/10.1063/1.481133openalex-snapshot
Reaction field treatment of charge penetration
inferredcites →https://doi.org/10.1139/v09-008openalex-snapshot
An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents
inferredcites →https://doi.org/10.1146/annurev-chembioeng-073009-100903openalex-snapshot
COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures
inferredcites →https://doi.org/10.1351/pac200779081345openalex-snapshot
Computational quantum mechanics: An underutilized tool in thermodynamics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4784781openalex-extracted
Breakthrough in the Extraction of Aqueous Perfluorooctanoic Acid Using Natural Deep Eutectic Solvents for Sustainable Water Remediation
inferred← citeshttps://doi.org/10.2139/ssrn.4786754openalex-extracted
Predicting Pka Values of Aniline Radical Cations vs. Stable Anilinium Ions in Aqueous Media
inferred← citeshttps://doi.org/10.1002/0471238961.0102191519201503.a01.pub3openalex-snapshot
Absorption
inferred← citeshttps://doi.org/10.1002/adfm.75896openalex-snapshot
Exciton Binding Energy of Phosphorescent Emitter Molecules in Organic Light‐Emitting Diodes
inferred← citeshttps://doi.org/10.1002/adfm.76624openalex-snapshot
Resolving the Solvation Effect in Liquid Electrolyte for Advanced Sodium Ion Batteries
inferred← citeshttps://doi.org/10.1002/adom.202102309openalex-snapshot
Designing Stable Deep‐Blue Thermally Activated Delayed Fluorescence Emitters through Controlling the Intrinsic Stability of Triplet Excitons
inferred← citeshttps://doi.org/10.1002/aic.17575openalex-snapshot
Predictive molecular thermodynamic models for ionic liquids
inferred← citeshttps://doi.org/10.1002/aic.18858openalex-snapshot
Rational screening of deep eutectic solvents for the removal of halogenated volatile organic compounds
inferred← citeshttps://doi.org/10.1002/aic.70033openalex-snapshot
Molecular design of deep eutectic solvents for highly selective separation and purification of succinic acid
inferred← citeshttps://doi.org/10.1002/ange.201709943openalex-snapshot
Computerchemie: das Schicksal aktueller Methoden und zukünftige Herausforderungen
inferred← citeshttps://doi.org/10.1002/ange.202401681openalex-snapshot
Lewis‐Säure‐dekorierte Hexacyanodiboran(6)‐Dianionen
inferred← citeshttps://doi.org/10.1002/ange.202518403openalex-snapshot
Persistent Mono‐Oxo Bonding with Protactinium(V) Revealed in Highly Acidic Chloride Solutions
inferred← citeshttps://doi.org/10.1002/anie.201709943openalex-snapshot
Computational Chemistry: The Fate of Current Methods and Future Challenges
inferred← citeshttps://doi.org/10.1002/anie.202401681openalex-snapshot
Lewis Acid Decorated Hexacyanodiborane(6) Dianion
inferred← citeshttps://doi.org/10.1002/anie.202518403openalex-snapshot
Persistent Mono‐Oxo Bonding with Protactinium(V) Revealed in Highly Acidic Chloride Solutions
inferred← citeshttps://doi.org/10.1002/cctc.201901911openalex-snapshot
Operando Modeling of Multicomponent Reactive Solutions in Homogeneous Catalysis: from Non‐standard Free Energies to Reaction Network Control
inferred← citeshttps://doi.org/10.1002/chem.202002656openalex-snapshot
N‐Heterocyclic Carbene Organocatalysis: With or Without Carbenes?
inferred← citeshttps://doi.org/10.1002/chem.202200529openalex-snapshot
The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests
inferred← citeshttps://doi.org/10.1002/chem.202304068openalex-snapshot
Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations
inferred← citeshttps://doi.org/10.1002/chem.202400320openalex-snapshot
NBN‐ and BNB‐Phenalenyls: the Yin and Yang of Heteroatom‐doped π Systems
inferred← citeshttps://doi.org/10.1002/chem.202502300openalex-snapshot
Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods
inferred← citeshttps://doi.org/10.1002/chem.71593openalex-snapshot
N ‐Boron‐Functionalized Anionic N ‐Heterocyclic Carbenes (NBA‐NHCs)—A Case Study
inferred← citeshttps://doi.org/10.1002/cssc.202300482openalex-snapshot
Density Functional Theory‐Based Protocol to Calculate the Redox Potentials of First‐row Transition Metal Complexes for Aqueous Redox Targeting Flow Batteries
inferred← citeshttps://doi.org/10.1002/cssc.202400898openalex-snapshot
Multiscale Modeling of CO 2 Electrochemical Reduction on Copper Electrocatalysts: A Review of Advancements, Challenges, and Future Directions
inferred← citeshttps://doi.org/10.1002/ejic.202500170openalex-snapshot
Synthesis, Characterization, and Electrochemical Properties of Tri‐ and Tetranuclear CoIII‐Oxo Complexes
inferred← citeshttps://doi.org/10.1002/ejoc.201801050openalex-snapshot
On the Carbene‐Like Reactions of Imidazolium Acetate Ionic Liquids: Can Theory and Experiments Agree?
inferred← citeshttps://doi.org/10.1002/etc.5952openalex-snapshot
Estimating Octanol–Water Partition Coefficients of Novel Brominated Flame Retardants by Reversed-Phase High-Performance Liquid Chromatography and Computational Models
inferred← citeshttps://doi.org/10.1002/jcc.70099openalex-snapshot
Analytical First Derivatives of the SCF Energy for the Conductor‐Like Polarizable Continuum Model With Non‐Static Radii
inferred← citeshttps://doi.org/10.1002/jctb.70229openalex-snapshot
Effective separation of ethanol–water azeotrope using acetate‐based ionic liquids: from COSMO ‐ RS screening to process simulation
inferred← citeshttps://doi.org/10.1002/open.202300134openalex-snapshot
Surface Modification of Lignite with Alkyl and Mixed Alkyl‐Aryl Films Generated from an Aryl Diazonium Salt and Alkyl Halides: Experimental Results and Theoretical Analyses
inferred← citeshttps://doi.org/10.1002/poc.4049openalex-snapshot
Density functional theory study on the degradation of fuel cell anion exchange membranes via removal of vinylbenzyl quaternary ammonium head group
inferred← citeshttps://doi.org/10.1002/qua.25760openalex-snapshot
Exploiting graphical processing units to enable quantum chemistry calculation of large solvated molecules with conductor‐like polarizable continuum models
inferred← citeshttps://doi.org/10.1002/qua.26600openalex-snapshot
Salen type additives as corrosion mitigator for Ni–W alloys: Detailed electronic/atomic‐scale computational illustration
inferred← citeshttps://doi.org/10.1002/slct.201802904openalex-snapshot
A DFT Study of Disperse Yellow 119 Degradation Mechanism by Hydroxyl Radical Attack
inferred← citeshttps://doi.org/10.1002/slct.202507226openalex-snapshot
Speciation‐Guided COSMO‐RS Screening of Hydrophobic DES for Fermentative Succinic Acid Extraction
inferred← citeshttps://doi.org/10.1002/vjch.70034openalex-snapshot
Theoretical study of 1,2,4‐triazole derivatives as acid inhibitors for heat exchanger tubing material
inferred← citeshttps://doi.org/10.1002/wcms.1519openalex-snapshot
Dielectric continuum methods for quantum chemistry
inferred← citeshttps://doi.org/10.1002/wcms.1726openalex-snapshot
ddX: Polarizable continuum solvation from small molecules to proteins
inferred← citeshttps://doi.org/10.1002/wcms.70008openalex-snapshot
Enhancing GPU ‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks
inferred← citeshttps://doi.org/10.1002/wer.10720openalex-snapshot
Ultrasound process‐enhanced removal of the toxic disinfection by‐product bromate from water by aluminum: A comparative study
inferred← citeshttps://doi.org/10.1007/978-3-032-22618-1_8openalex-snapshot
Investigating Collagen Structure and Stability at Atomic and Electronic Scales Using Quantum Chemistry
inferred← citeshttps://doi.org/10.1007/s00216-025-06174-7openalex-snapshot
Ultrasound-assisted extraction of bioactive birch (Betula sp.) bark triterpenoids using hydrophobic natural deep eutectic solvents
inferred← citeshttps://doi.org/10.1007/s00894-020-04584-1openalex-snapshot
Infrared spectra of PEHA molecule and its resistance to oxidation in water and methanol media at 298.15 K: solvent cluster size dependency
inferred← citeshttps://doi.org/10.1007/s00894-022-05160-5openalex-snapshot
SN2 versus E2 reactions in a complex microsolvated environment: theoretical analysis of the equilibrium and activation steps of a nucleophilic fluorination
inferred← citeshttps://doi.org/10.1007/s00894-024-05984-3openalex-snapshot
Evaluation of chemical reactivity and polarity of imidazolium-based ionic liquids using quantum chemical calculations
inferred← citeshttps://doi.org/10.1007/s10534-024-00633-xopenalex-snapshot
New solvated Mo(VI) complexes of isatin based asymmetric bisthiocarbohydrazones as potent bioactive agent: synthesis, DFT-molecular docking studies, biological activity evaluation and crystal structures
inferred← citeshttps://doi.org/10.1007/s10800-022-01748-0openalex-snapshot
Comparison the anticorrosion behavior of three symmetrical Schiff-base ligands: experimental and theoretical studies
inferred← citeshttps://doi.org/10.1007/s10822-018-0125-yopenalex-snapshot
Prediction of partition and distribution coefficients in various solvent pairs with COSMO-RS
inferred← citeshttps://doi.org/10.1007/s10822-018-0145-7openalex-snapshot
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
inferred← citeshttps://doi.org/10.1007/s10822-019-00259-zopenalex-snapshot
COSMO-RS based predictions for the SAMPL6 logP challenge
inferred← citeshttps://doi.org/10.1007/s10822-020-00337-7openalex-snapshot
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules
inferred← citeshttps://doi.org/10.1007/s10822-021-00395-5openalex-snapshot
COSMO-RS predictions of logP in the SAMPL7 blind challenge
inferred← citeshttps://doi.org/10.1007/s10822-023-00514-4openalex-snapshot
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge
inferred← citeshttps://doi.org/10.1007/s10822-023-00538-wopenalex-snapshot
Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state
inferred← citeshttps://doi.org/10.1007/s10822-024-00576-yopenalex-snapshot
Comparative assessment of physics-based in silico methods to calculate relative solubilities
inferred← citeshttps://doi.org/10.1007/s10953-021-01104-4openalex-snapshot
Development of Predictive Expressions for Infinite Dilution Activity Coefficients, Molar Solubilities and Partition Coefficients for Solutes Dissolved in 2-Pyrrolidone Based on the Abraham Solvation Parameter Model
inferred← citeshttps://doi.org/10.1007/s10953-024-01397-1openalex-snapshot
Selection of Entrainer and Vapour–Liquid Equilibrium Data for Cyclohexene and Cyclohexane Near-Boiling Systems at 101.3 kPa
inferred← citeshttps://doi.org/10.1007/s11224-023-02133-zopenalex-snapshot
Unveiling the gemcitabine drug complexation with cucurbit[n]urils (n = 6–8): a computational analysis
inferred← citeshttps://doi.org/10.1007/s11356-025-36679-8openalex-snapshot
CTAB-modified Moroccan illite for sustainable removal of anionic and cationic dyes from simulated dye solutions: integrating experimental optimization and computational analysis
inferred← citeshttps://doi.org/10.1007/s11418-024-01810-5openalex-snapshot
Proposal for structure revision of pinofuranoxin A through total syntheses of stereoisomers
inferred← citeshttps://doi.org/10.1007/s11581-023-05058-zopenalex-snapshot
A combined experimental and theoretical approach effect of a benzimidazolium salt as a new corrosion inhibitor on mild steel in HCl solution
inferred← citeshttps://doi.org/10.1007/s11665-025-10657-0openalex-snapshot
Influence of Donor and Acceptor Groups on the Inhibition Performance of Benzamide Derivatives in CO2-Saturated Media: Experimental and Theoretical Researches
inferred← citeshttps://doi.org/10.1007/s11668-023-01705-9openalex-snapshot
Exploratory Experiments Supported by Modeling Approaches for TGEEA New Epoxy Resin as a Contemporary Anti-corrosion Material for C38 Steel in 1.0 M HCl
inferred← citeshttps://doi.org/10.1007/s11696-023-02959-1openalex-snapshot
Going green: Stachys scardica H. leaves extract derived from supercritical CO2 extraction as an effective corrosion inhibitor for mild steel in 1 M HCl media
inferred← citeshttps://doi.org/10.1007/s11947-025-04031-0openalex-snapshot
Green and Efficient Extraction of Soybean (Glycine max (L.) Merr.) Isoflavones Using Natural Deep Eutectic Solvents-Based Ultrasound-Assisted Extraction
inferred← citeshttps://doi.org/10.1007/s40735-022-00679-9openalex-snapshot
Corrosion Inhibition of Carbon Steel in 0.5 M H2SO4 by New Reduced Schiff Base Ligand
inferred← citeshttps://doi.org/10.1007/s42250-021-00292-2openalex-snapshot
Computational Study of the Mechanistic Pathway Of Hydroxyl Radical-Initiated Degradation of Disperse Red 73 Dye
inferred← citeshttps://doi.org/10.1007/s42250-025-01371-4openalex-snapshot
Biomass Corrosion Inhibitors for Protection of Cu-Ni (70–30) Alloy in Marine Environment
inferred← citeshttps://doi.org/10.1007/s44371-025-00117-yopenalex-snapshot
Inhibitory effects of phytochemicals of spices on human monoamine oxidase B through molecular docking, molecular dynamics simulation, and DFT study
inferred← citeshttps://doi.org/10.1016/b978-0-443-15742-4.00109-5openalex-snapshot
Anhydrosugars and Derivatives
inferred← citeshttps://doi.org/10.1016/b978-0-443-19057-5.00014-5openalex-snapshot
Hydrolases and their application in asymmetric synthesis
inferred← citeshttps://doi.org/10.1016/j.arabjc.2023.104625openalex-snapshot
Phytochemical components of Allium Jesdianum flower as effective corrosion-resistant materials for Fe(1 1 0), Al(1 1 1), and Cu(1 1 1): DFT study
inferred← citeshttps://doi.org/10.1016/j.arabjc.2024.105810openalex-snapshot
Exploring the efficacy of Congo Red dye as a corrosion inhibitor for aluminum in HCl solution: An interdisciplinary study with RSM modeling and theoretical simulations
inferred← citeshttps://doi.org/10.1016/j.bidere.2026.100109openalex-snapshot
Recent advances in AI-driven deep eutectic solvent design for biocatalysis: Co-design of extremozyme and reaction medium
inferred← citeshttps://doi.org/10.1016/j.biteb.2025.102228openalex-snapshot
Hydroxyl-containing aliphatic amino acids and their peptide derivatives as green corrosion inhibitors for copper in an alkaline medium
inferred← citeshttps://doi.org/10.1016/j.cdc.2022.100885openalex-snapshot
Multidimensional analysis for corrosion inhibition by new pyrazoles on mild steel in acidic environment: Experimental and computational approach
inferred← citeshttps://doi.org/10.1016/j.cej.2022.136054openalex-snapshot
Investigation of green solvents for the extraction of phenol and natural alkaloids: Solvent and extractant selection
inferred← citeshttps://doi.org/10.1016/j.cej.2022.136938openalex-snapshot
Novel sucrose derivative as a thermally stable inhibitor for mild steel corrosion in 15% HCl medium: An experimental and computational study
inferred← citeshttps://doi.org/10.1016/j.cej.2024.153668openalex-snapshot
Rapid and highly efficient removal of aqueous perfluorooctanoic acid using deep eutectic solvents for sustainable water remediation: An integrated experimental-modeling approach
inferred← citeshttps://doi.org/10.1016/j.cej.2024.153965openalex-snapshot
High-throughput screening of 2,500 ionic liquids for sustainable furfural recovery: Bridging quantum simulations, machine learning, and experimental validation
inferred← citeshttps://doi.org/10.1016/j.cej.2025.164432openalex-snapshot
In-situ electrogeneration of H2O2 and hydroxyl radical applied for venlafaxine degradation: A novel strategy using FeSe2-modified carbon gas diffusion electrode
inferred← citeshttps://doi.org/10.1016/j.cej.2026.179082openalex-snapshot
Selective purification of polymer-grade succinic acid from fermentation broths using a designed type III porous liquids [diOTMG]Cl@Zr-bptc
inferred← citeshttps://doi.org/10.1016/j.ces.2020.116199openalex-snapshot
Ionic liquid screening for CO2 capture and H2S removal from gases: The syngas purification case
inferred← citeshttps://doi.org/10.1016/j.ces.2022.118179openalex-snapshot
Molecular insights into azeotrope separation in the methyl tert-butyl ether production process using ChCl-based deep eutectic solvents
inferred← citeshttps://doi.org/10.1016/j.ces.2024.120798openalex-snapshot
Efficient separation of diisopropyl ether and ethanol using green solvents: Thermodynamic analysis and process simulation
inferred← citeshttps://doi.org/10.1016/j.ces.2025.121245openalex-snapshot
An integrated ML model for the prediction of the melting points, phase diagrams, and eutectic points of the Type III and V deep eutectic solvents
inferred← citeshttps://doi.org/10.1016/j.ces.2026.124496openalex-snapshot
Targeted deaggregation of asphaltenes by a natural deep eutectic solvent for ultra-effective viscosity reduction and enhanced heavy oil recovery
inferred← citeshttps://doi.org/10.1016/j.ces.2026.124931openalex-snapshot
Decoding the interaction mechanism of ionic liquids and azeotropic mixtures for rational extractive distillation design
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2025.144595openalex-snapshot
Systematic design of hydrophobic deep eutectic solvents by VEGA, COSMO-RS, and experiments for efficient removal of Saxitoxin and brevetoxin from water
inferred← citeshttps://doi.org/10.1016/j.chemphys.2025.112955openalex-snapshot
From experimental exploration to mechanistic insight: Separation mechanism of ionic liquids for methanol-acetonitrile azeotrope
inferred← citeshttps://doi.org/10.1016/j.cherd.2025.10.032openalex-snapshot
Thermodynamic model for predicting progress of equilibrium limited reactive crystallizations
inferred← citeshttps://doi.org/10.1016/j.cjche.2020.10.044openalex-snapshot
Machine learning for molecular thermodynamics
inferred← citeshttps://doi.org/10.1016/j.cocis.2024.101874openalex-snapshot
Driving the future of cosmetics, fragrances, and foods with COSMO-RS. Part 1—Bibliometric analysis and introductory framework
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2020.125325openalex-snapshot
New pyrazole derivatives as effective corrosion inhibitors on steel-electrolyte interface in 1 M HCl: Electrochemical, surface morphological (SEM) and computational analysis
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2022.130544openalex-snapshot
The quaternary ammonium salts as corrosion inhibitors for X65 carbon steel under sour environment in NACE 1D182 solution: Experimental and computational studies
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2025.136798openalex-snapshot
Enhancement of solubilization and transdermal delivery of methotrexate in microemulsions with natural deep eutectic solvents screened by COMSO-RS
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2025.137397openalex-snapshot
Sustainable valorization of chicken feather waste: Keratin extraction for advanced UV-protective textile, antioxidant applications, and DFT-guided sodium sulfide dissolution
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2026.139872openalex-snapshot
Computationally guided nanoemulsion with natural deep eutectic solvent: Interfacial mechanism and enhanced transdermal delivery of puerarin
inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113258openalex-snapshot
Ab inito exploration of nanocars as potential corrosion inhibitors
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114850openalex-snapshot
Structural models of the keratin derivatives. An approach to its solubility and processability
inferred← citeshttps://doi.org/10.1016/j.corsci.2025.112712openalex-snapshot
Fabrication of novel Arabic gum-grafted-polyurethanes as eco-friendly corrosion inhibitors for carbon steel in sour environments: Surface analysis and inhibition mechanism
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139739openalex-snapshot
On the solvation model and infrared spectroscopy of liquid water
inferred← citeshttps://doi.org/10.1016/j.ejps.2020.105636openalex-snapshot
Predictive identification of co-formers in co-amorphous systems
inferred← citeshttps://doi.org/10.1016/j.ejps.2022.106138openalex-snapshot
Linear solvation energy relationships (LSERs) for robust prediction of partition coefficients between low density polyethylene and water. Part II: Model evaluation and benchmarking
inferred← citeshttps://doi.org/10.1016/j.electacta.2025.146541openalex-snapshot
pH-mediated charge tuning of chitosan membrane: a smart approach to control electrochemical selectivity
inferred← citeshttps://doi.org/10.1016/j.est.2022.104152openalex-snapshot
Prediction of Pourbaix diagrams of quinones for redox flow battery by COSMO-RS
inferred← citeshttps://doi.org/10.1016/j.fluid.2019.112278openalex-snapshot
The UNIFAC-LLE and COSMO-SAC ternary aqueous LLE calculations
inferred← citeshttps://doi.org/10.1016/j.fluid.2024.114051openalex-snapshot
Modelling thermophysical properties of mixtures of 2-hydroxyethyl ammonium-based ionic liquids + water, methanol, or ethanol with the electrolyte-cubic plus association equation of state
inferred← citeshttps://doi.org/10.1016/j.fluid.2024.114277openalex-snapshot
Phase equilibrium calculations at low and high pressures with a modified COSMO-SAC model
inferred← citeshttps://doi.org/10.1016/j.fluid.2026.114659openalex-snapshot
Separation of ethyl alcohol/water azeotropic mixture using triethylene glycol and triethylene glycol-based deep eutectic solvent: Vapor-liquid equilibria and molecular interactions
inferred← citeshttps://doi.org/10.1016/j.fluid.2026.114662openalex-snapshot
Evaluation of the effect of segment diameter and combining rules in eSAFT-VR Mie modeling of aqueous electrolyte solutions
inferred← citeshttps://doi.org/10.1016/j.foodchem.2023.136990openalex-snapshot
Natural deep eutectic solvents for the extraction of lentinan from shiitake mushroom: COSMO-RS screening and ANN-GA optimizing conditions
inferred← citeshttps://doi.org/10.1016/j.fuel.2020.117828openalex-snapshot
Extraction of naphthenic acid from low-grade crude oil using diol compounds
inferred← citeshttps://doi.org/10.1016/j.fuel.2024.134225openalex-snapshot
Study on vapor–liquid equilibrium for the separation of ethyl acetate and isopropanol azeotrope using phosphonium-based ionic liquids
inferred← citeshttps://doi.org/10.1016/j.fuel.2026.138836openalex-snapshot
Design of High-Energy-Density fuels based on COSMO-RS
inferred← citeshttps://doi.org/10.1016/j.gce.2022.11.002openalex-snapshot
A systematic COSMO-RS study on mutual solubility of ionic liquids and C6-hydrocarbons
inferred← citeshttps://doi.org/10.1016/j.gce.2024.10.003openalex-snapshot
COSMO-RS screening of organic mixtures for membrane extraction of aromatic amines: TOPO-based mixtures as promising solvents
inferred← citeshttps://doi.org/10.1016/j.gee.2020.12.011openalex-snapshot
COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids
inferred← citeshttps://doi.org/10.1016/j.icheatmasstransfer.2025.110014openalex-snapshot
In-depth insights into molecular mechanisms of enhanced boiling heat transfer through interpretable machine learning
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2019.118682openalex-snapshot
Optimization, thermodynamic characteristics and solubility predictions of natural deep eutectic solvents used for sulfonamide dissolution
inferred← citeshttps://doi.org/10.1016/j.inoche.2025.115629openalex-snapshot
Synthesis and molecular modeling of PVC/V2O5 nanocomposite: Structural properties for improvement of oxidation and environmental remediation
inferred← citeshttps://doi.org/10.1016/j.jece.2022.108552openalex-snapshot
Extreme learning machine models for predicting the n-octanol/water partition coefficient (Kow) data of organic compounds
inferred← citeshttps://doi.org/10.1016/j.jece.2024.112206openalex-snapshot
Unraveling the structure-property relationship of pyrimidine-derivatives as CO2 corrosion inhibitors: Experimental and periodic DFT investigations
inferred← citeshttps://doi.org/10.1016/j.jece.2025.116095openalex-snapshot
Comparison of deep eutectic solvents and ionic liquids effects on the separation of Isopropyl alcohol–Isopropyl acetate based on experiments and molecular simulations
inferred← citeshttps://doi.org/10.1016/j.jece.2026.123697openalex-snapshot
Comparative analysis of ionic liquids and deep eutectic solvents for n-propanol/propyl acetate separation via experiments and molecular simulations
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2025.140752openalex-snapshot
Optimizing boron doping in diamond electrodes for PFOA mineralization: 14C labeling and DFT studies
inferred← citeshttps://doi.org/10.1016/j.jics.2022.100665openalex-snapshot
Experimental and theoretical studies on protecting steel against 0.5 M H2SO4 corrosion by new schiff base
inferred← citeshttps://doi.org/10.1016/j.jil.2024.100107openalex-snapshot
Effect of anion α-functionalization on the water affinity of thermo-responsive phosphonium acetate-derived ionic liquids
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2024.112807openalex-snapshot
Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations
inferred← citeshttps://doi.org/10.1016/j.jpcs.2022.110645openalex-snapshot
Anti-corrosion behavior of two N2O4 Schiff-base ligands: Experimental and theoretical studies
inferred← citeshttps://doi.org/10.1016/j.jpcs.2025.112848openalex-snapshot
Adsorption and solar photocatalytic degradation of naphthalene by α-Fe2O3/ZnFe2O4 nanoparticles: Experimental and DFT insights
inferred← citeshttps://doi.org/10.1016/j.jscs.2022.101566openalex-snapshot
Molecular and periodic DFT calculations of the corrosion protection of Fe(1 1 0) by individual components of Aerva lanata flower as a green corrosion inhibitor
inferred← citeshttps://doi.org/10.1016/j.jtice.2023.105127openalex-snapshot
Electrochemical study of three new morpholine-based inhibitors for P460N steel in 3.5 wt. % NaCl solution
inferred← citeshttps://doi.org/10.1016/j.jwpe.2024.105379openalex-snapshot
Machine learning screening tools for the prediction of extraction yields of pharmaceutical compounds from wastewaters
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2022.126052openalex-snapshot
Monte Carlo simulation, molecular dynamic simulation, quantum chemical calculation and anti-corrosive behaviour of Citrus limetta pulp waste extract for stainless steel (SS-410) in acidic medium
inferred← citeshttps://doi.org/10.1016/j.memsci.2024.123481openalex-snapshot
Self-assembled ILs-PVA micelle nanostructure impart the pervaporation membrane with high ethanol dehydration performance
inferred← citeshttps://doi.org/10.1016/j.microc.2023.109786openalex-snapshot
New theoretical perspective for easy evaluation of the antioxidant properties of typical flavonoids
inferred← citeshttps://doi.org/10.1016/j.mochem.2026.100038openalex-snapshot
Molecular thermodynamics and solvation design in a hydrophobic menthol:linalool solvent: From physicochemical characterization to β-sitosterol extraction affinity
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.113973openalex-snapshot
An experimental-coupled empirical investigation on the corrosion inhibitory action of 7-alkyl-8-Hydroxyquinolines on C35E steel in HCl electrolyte
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.115413openalex-snapshot
Electrochemical, thermodynamic and molecular dynamics studies of some benzoic acid derivatives on the corrosion inhibition of 316 stainless steel in HCl solutions
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.115655openalex-snapshot
Substructure shock-friction theory for molecular transport in liquids
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.116778openalex-snapshot
Screening of alternative solvent ionic liquids for artemisinin: COSMO-RS prediction and experimental verification
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117333openalex-snapshot
Insight into the corrosion inhibition of new bis-quinolin-8-ols derivatives as highly efficient inhibitors for C35E steel in 0.5 M H2SO4
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.118139openalex-snapshot
COSMO-RS prediction and experimental verification of deep eutectic solvents for water insoluble pesticides with high solubility
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.118345openalex-snapshot
Which is better for Lindane pesticide adsorption, graphene or graphene oxide? An experimental and DFT study
inferred← citeshttps://doi.org/10.1016/j.molliq.2022.118524openalex-snapshot
Selection of deep eutectic solvents for extractive deterpenation of lemon essential oil
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.122669openalex-snapshot
Assessment of Hansen solubility parameters in deep eutectic solvents for solubility predictions
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.122690openalex-snapshot
Development of new polymer composites formulated by glass as a potential protective coating for 3D printed H13 steel in acidic medium: DFT, MC and MD computational
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124068openalex-snapshot
Aqueous microsolvation of bivalent Cu, Zn and Cd. Quantum chemical topology analyses of cooperativity, anticooperativity and covalency
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124887openalex-snapshot
Rational screening of ionic liquids as phase transfer catalysts for aromatic O- and S-glycosidations examplified by acetobromo-alpha-D-galactose with phenolic compound
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125256openalex-snapshot
New QSPR molecular descriptors based on low-cost quantum chemistry computations using DFT/COSMO approach
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125272openalex-snapshot
Evaluating asphaltene dispersion with choline chloride or menthol based deep eutectic solvents: A COSMO-RS analysis
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126282openalex-snapshot
Exploring with theoretical calculations: Applications of ionic liquids and deep eutectic solvents in the field of separations
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126333openalex-snapshot
Solubility and extractability enhancement of the main food flavonoids by using choline chloride-based natural deep eutectic solvents
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126707openalex-snapshot
Machine learning-driven prediction of deep eutectic solvents’ heat capacity for sustainable process design
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.127858openalex-snapshot
Deciphering the structural and functional peculiarities of the classic ionophore cetylpyridinium tetraphenylborate
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.128093openalex-snapshot
Molecular-level insights into extractant selection for aromatic–saturate separation in FCC slurry oil
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.128095openalex-snapshot
Deep eutectic solvent-assisted pretreatment of Ulva seaweed cellulose and in silico characterization
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.129144openalex-snapshot
Ethyl acetate + ethanol azeotrope separation via ionic liquids: A multiscale analytical study
inferred← citeshttps://doi.org/10.1016/j.molliq.2026.129640openalex-snapshot
NMR investigation of dihydrodehydrodiconiferyl alcohol and thermodynamic DFT analysis of its antioxidant activity
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.131930openalex-snapshot
One-pot synthesis of some new 7‑hydroxy-5-(4-substitutedphenyl)-9-methyl-1,5-dihydro-2H-dipyrimido[1,2-a:4′,5′-d]pyrimidine-2,4(3H)‑dione derivatives and it's optoelectronic, DFT, photocatalytic studies and latent fingerprint applications
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.135973openalex-snapshot
Cyclocondensation of 3,4-diaminobenzophenone with glyoxal: Synthesis, X-ray structure, density functional theory calculation and molecular docking studies
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.104654openalex-snapshot
Synthesis of new halogenated compounds based on 8-hydroxyquinoline derivatives for the inhibition of acid corrosion: Theoretical and experimental investigations
inferred← citeshttps://doi.org/10.1016/j.nxener.2026.100734openalex-snapshot
A review on solid–liquid triboelectric nanogenerators for energy harvesting with machine learning and deep learning-based design optimization
inferred← citeshttps://doi.org/10.1016/j.nxsust.2026.100339openalex-snapshot
Experimental and computational exploration of the corrosion inhibition potential of Prunus cerasus leaves aqueous extract on D16T aluminum alloy in 3.0% NaCl solution
inferred← citeshttps://doi.org/10.1016/j.psep.2025.108206openalex-snapshot
Molecular mechanism and extraction process design for the separation of ethanol and N-propyl acetate by deep eutectic solvents and ionic liquids
inferred← citeshttps://doi.org/10.1016/j.psep.2025.108272openalex-snapshot
Process design, multi-objective optimization, and 3E analysis of ionic liquid and mixed entrainer extractive distillation separation of a quaternary mixture with four azeotropes
inferred← citeshttps://doi.org/10.1016/j.rineng.2025.105363openalex-snapshot
Finite particle size effects on dynamic and structural properties of deep eutectic solvents based on caprylic acid: From a perspective of molecular dynamics simulation
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2022.157415openalex-snapshot
Quantitative assessment of the contribution of soil organic matter functional groups and heteroatoms to PAHs adsorption based on the COSMO-RS model
inferred← citeshttps://doi.org/10.1016/j.scp.2026.102339openalex-snapshot
Repurposing orange peel waste for limonene extraction using deep eutectic solvents for cosmetic applications
inferred← citeshttps://doi.org/10.1016/j.seppur.2022.121675openalex-snapshot
A pathway to improve detoxification processes by selective extraction of phenols and sugars from aqueous media using sustainable solvents
inferred← citeshttps://doi.org/10.1016/j.seppur.2023.123475openalex-snapshot
Molecular thermodynamic model for solvent extraction of mineral acids by tri-n-butyl phosphate (TBP)
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.128594openalex-snapshot
Predicting deep eutectic solvents for absorption of SO2 based on multilayer perceptron
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.129970openalex-snapshot
Mild one-pot production of glycerol carbonate from CO2 with separation from ionic liquid catalyst
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.130948openalex-snapshot
The importance of process simulation to aid molecular screening of ionic liquid for acidic gas removal in natural gas
inferred← citeshttps://doi.org/10.1016/j.seppur.2025.131858openalex-snapshot
Green separation pathway for hydrocarbon compounds: Ionic liquid extraction technology
inferred← citeshttps://doi.org/10.1016/j.seppur.2025.132262openalex-snapshot
Investigation on the molecular interaction mechanisms of ionic liquid-organic mixed entrainers for azeotrope separation in extractive distillation
inferred← citeshttps://doi.org/10.1016/j.seppur.2025.132699openalex-snapshot
Rational selection and evaluation of ionic liquid as extractant for efficient separation of hexane and methyl ethyl ketone azeotrope
inferred← citeshttps://doi.org/10.1016/j.seppur.2025.133104openalex-snapshot
COSMO-RS-based solvent screening and experimental analysis for recovering added-value chemicals from the bio-oil aqueous phase
inferred← citeshttps://doi.org/10.1016/j.trac.2019.05.046openalex-snapshot
Hansen solubility parameters for selection of green extraction solvents
inferred← citeshttps://doi.org/10.1016/j.ultsonch.2026.107795openalex-snapshot
COSMO-RS guided screening of deep eutectic solvents and ultrasound-assisted extraction for resveratrol from Polygonum cuspidatum
inferred← citeshttps://doi.org/10.1021/acs.biochem.1c00619openalex-snapshot
Accumulation and Pulse Electron Paramagnetic Resonance Spectroscopic Investigation of the 4-Oxidobenzyl Radical Generated in the RadicalS-Adenosyl- l -methionine Enzyme HydG
inferred← citeshttps://doi.org/10.1021/acs.cgd.1c00009openalex-snapshot
New Salts and Cocrystals of Pymetrozine with Improvements on Solubility and Humidity Stability: Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.cgd.2c00753openalex-snapshot
Understanding the Interaction of Gluconamides and Gluconates with Amino Acids in Hair Care
inferred← citeshttps://doi.org/10.1021/acs.cgd.2c01092openalex-snapshot
Co-Former Selection for Coamorphous Amino Acid/Spironolactone Formulations and Exploration of the Amorphization Kinetics of Systems
inferred← citeshttps://doi.org/10.1021/acs.cgd.4c01740openalex-snapshot
Navigating Solid-Form Screening Using In Silico Methods Validated with Experimental Data for a Drug-like Molecule
inferred← citeshttps://doi.org/10.1021/acs.cgd.5c00087openalex-snapshot
Novel Oxaprozin Cocrystals/Salts: Solubility Enhancement for Oxaprozin and Release Control for Minoxidil
inferred← citeshttps://doi.org/10.1021/acs.cgd.5c00184openalex-snapshot
Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/acs.chemmater.2c02279openalex-snapshot
Unraveling the Electrochemistry of Verdazyl Species in Acidic Electrolytes for the Application in Redox Flow Batteries
inferred← citeshttps://doi.org/10.1021/acs.chemrev.4c00855openalex-snapshot
Physics-Based Solubility Prediction for Organic Molecules
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00361openalex-snapshot
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.4c03907openalex-snapshot
Computational Advances in Ionic-Liquid-Mediated Extractive Desulfurization of Fuel: A Minireview
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.4c04743openalex-snapshot
Unraveling the Mechanism of Extractive Desulfurization to Rationally Design Functional Ionic Liquids and Deep Eutectic Solvents: A Comprehensive Review
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.6c02836openalex-snapshot
Pyrolysis-Oil Methoxyphenol Extraction: From Biobased Solvent Screening to Thermodynamic Modeling
inferred← citeshttps://doi.org/10.1021/acs.iecr.3c01843openalex-snapshot
Multiscale Conceptual Design of a Scalable and Sustainable Process to Dissolve and Regenerate Keratin from Chicken Feathers
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c01945openalex-snapshot
Liquid–Liquid Equilibrium for 2-Methylfuran (Biofuel) + Alcohols + Water Systems: Experiments and Thermodynamic Modeling
inferred← citeshttps://doi.org/10.1021/acs.iecr.5c04830openalex-snapshot
Multiscale Investigation of Ionic Liquid Extractive Distillation: Molecular-Level Exploration to Process Optimization for the iso -Propanol-Water Azeotrope
inferred← citeshttps://doi.org/10.1021/acs.iecr.6c00555openalex-snapshot
Solvent Selection for the Extraction of 5-Hydroxymethylfurfural from a Eutectic Solvent Using Predictive Modeling and Experiments
inferred← citeshttps://doi.org/10.1021/acs.iecr.6c01223openalex-snapshot
Entrainer Screening, Vapor–Liquid Equilibrium Measurement, and Extractive Distillation Simulation for the Ethyl Propionate–Ethanol Azeotropic System
showing the first 200 of 382 · page through all 382
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.